N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide

C14H30N4O — CID 111579841

IUPACN-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCCCC(C)C
InChIInChI=1S/C14H30N4O/c1-5-15-13(19)11-18-14(16-6-2)17-10-8-7-9-12(3)4/h12H,5-11H2,1-4H3,(H,15,19)(H2,16,17,18)
InChIKeyZZSREMUIBVWFCT-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds9

About N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide

N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide (PubChem CID 111579841) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
PubChem CID111579841
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCCCC(C)C
InChIInChI=1S/C14H30N4O/c1-5-15-13(19)11-18-14(16-6-2)17-10-8-7-9-12(3)4/h12H,5-11H2,1-4H3,(H,15,19)(H2,16,17,18)
InChIKeyZZSREMUIBVWFCT-UHFFFAOYSA-N
XLogP1.50
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-(5-methylhexylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111580173
1-ethyl-3-(5-methylhexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111579811
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111943024
4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide
CID 111579679
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111942581
N-ethyl-4-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]benzamide
CID 111942415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide?
The IUPAC name of N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide (CID 111579841) is N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide is CCNC(=O)C/N=C(\NCC)NCCCCC(C)C.
What is the InChIKey of N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide?
The InChIKey is ZZSREMUIBVWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-5-15-13(19)11-18-14(16-6-2)17-10-8-7-9-12(3)4/h12H,5-11H2,1-4H3,(H,15,19)(H2,16,17,18).
What are the key properties of N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide?
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111579841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).